Hi, Dave
I sent the following message from cuigl.psu.edu to the developer list.
But perhaps because the email address wasn't in the server, the email
didn't show up. So I'm sending it again from cuigl.csb.sunysb.edu.
Hopefully, it will show up. If not, below is the message.
Thank you.
Regards,
Guanglei
=========
Hi, all
I just found a possible typo in mdread.f where it assigns the
coefficients for LCPO (around line 928) for CT (nbond = 1). In Still's
paper (pg. 228), the P1 is 7.7887e-01. The number in mdread.f is
0.7887d0. Can anyone confirm on this? Sorry if this has been reported.
Regards,
Guanglei
Received on Wed Apr 05 2006 - 23:49:58 PDT
